3SM9
Crystal Structure of Metabotropic glutamate receptor 3 precursor in presence of LY341495 antagonist
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-06-13 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97934 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 83.402, 98.633, 203.513 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.840 - 2.260 |
R-factor | 0.2024 |
Rwork | 0.201 |
R-free | 0.22680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mq4 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.040 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | BUSTER-TNT |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.290 |
High resolution limit [Å] | 2.250 | 6.100 | 2.250 |
Rmerge | 0.076 | 0.034 | 0.876 |
Number of reflections | 39493 | ||
<I/σ(I)> | 11.5 | 2.08 | |
Completeness [%] | 99.9 | 98.6 | 99.8 |
Redundancy | 5.8 | 5.3 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 1.5 M Ammonium Sulfate 0.1 M BisTris Propane pH 7.0 , VAPOR DIFFUSION, HANGING DROP, temperature 293K |